chempirical

(2,4,6-Tri(propan-2-yl)phenyl)boronic acid

C15H25BO2CAS 154549-38-9248.17 g/mol

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BOHHO
Boronic acid

Properties

Molecular formula
C15H25BO2
Molar mass
248.17 g/mol
Exact mass
248.1948 Da
logP
2.74Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
154549-38-9
SMILES
B(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(O)O
InChIKey
FGFYEKLWZBTLEW-UHFFFAOYSA-N
InChI
InChI=1S/C15H25BO2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11,17-18H,1-6H3

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Names and synonyms

1 names
  • 2,4,6-Triisopropylbenzeneboronic acid

Work with (2,4,6-Tri(propan-2-yl)phenyl)boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Triisopropylbenzene717-74-846 % similar 2,4,6-Tris(1-methylethyl)benzoic acid49623-71-444 % similar 1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-241 % similar 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride6553-96-440 % similar 3,5-Diisopropylsalicylic acid2215-21-638 % similar 2,4,6-Triisopropylbenzenesulfonyl hydrazide39085-59-138 % similar 3-Isopropyl-5-methylphenol3228-03-335 % similar 1,4-Diisopropylbenzene100-18-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

B-(4-Nonylphenyl)boronic acid256383-45-6

Elsewhere

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